SCHEMBL3055770

SCHEMBL3055770

COc1ccccc1CN1C(=O)CCc2cc(OCc3ccccc3)c(OC)cc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.53
CHRNA7 P36544 2/20 0.49
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PDE4B Q07343 1/20 0.45
POLB P06746 1/20 0.43
REV1 Q9UBZ9 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3182417 0.91 HDAC6 (0.56) HDAC6CHRNA7CYP19A1CYP11B1CYP11B2
SCHEMBL3059159 0.86 HDAC6 (0.51) HDAC6CHRNA7POLB
SCHEMBL3055179 0.86 HDAC6 (0.55) HDAC6CHRNA7POLBREV1
SCHEMBL3051389 0.85 HDAC6 (0.51) HDAC6CHRNA7POLBREV1
SCHEMBL3054092 0.85 HDAC6 (0.53) HDAC6CHRNA7PDE4BREV1
SCHEMBL3045981 0.81 HDAC6 (0.47) HDAC6CHRNA7
SCHEMBL3049004 0.77 USP2 (0.43) HDAC6POLB
SCHEMBL3171208 0.75 POLB (0.56) HDAC6PDE4BPOLB
SCHEMBL3049471 0.75 REV1 (0.71) CHRNA7PDE4BPOLBREV1
SCHEMBL3059029 0.73 REV1 (0.62) CHRNA7PDE4BPOLBREV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222299-A1 COMPOUND MKI67, VHL, MYC HDAC6 540/4885CHRNA7 4760/4885CYP19A1 186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.